data_6499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6499 _Entry.Title ; NMR structure of antimicrobial peptide distinctin in water ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-09 _Entry.Accession_date 2005-02-09 _Entry.Last_release_date 2005-02-09 _Entry.Original_release_date 2005-02-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Amodeo . . . . 6499 2 D. Raimondo . . . . 6499 3 G. Andreotti . . . . 6499 4 A. Motta . . . . 6499 5 A. Scaloni . . . . 6499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 413 6499 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-05-26 . original BMRB . 6499 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1XKM 'BMRB Entry Tracking System' 6499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15840728 _Citation.Full_citation . _Citation.Title ; A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Raimondo . . . . 6499 1 2 G. Andreotti . . . . 6499 1 3 N. Saint . . . . 6499 1 4 P. Amodeo . . . . 6499 1 5 G. Renzone . . . . 6499 1 6 M. Sanseverino . . . . 6499 1 7 I. Zocchi . . . . 6499 1 8 G. Molle . . . . 6499 1 9 A. Motta . . . . 6499 1 10 A. Scaloni . . . . 6499 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DISULFIDE 6499 1 'FOUR-HELIX BUNDLE' 6499 1 HETERODIMER 6499 1 HOMODIMER 6499 1 'NMR STRUCTURE' 6499 1 'PORE-FORMING PEPTIDE' 6499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_distinctin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_distinctin _Assembly.Entry_ID 6499 _Assembly.ID 1 _Assembly.Name 'distinctin chain A/distinctin chain B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID tetramer 6499 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Distinctin chain A monomer 1' 1 $Distinctin_chain_A . . . native . . . . . 6499 1 2 'Distinctin chain B monomer 1' 2 $Distinctin_chain_B . . . native . . . . . 6499 1 3 'Distinctin chain A monomer 2' 1 $Distinctin_chain_A . . . native . . . . . 6499 1 4 'Distinctin chain B monomer 2' 2 $Distinctin_chain_B . . . native . . . . . 6499 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 2 . 2 CYS 23 23 SG . . . . . . . . . . . . 6499 1 2 disulfide single . 3 . 1 CYS 19 19 SG . 4 . 2 CYS 23 23 SG . . . . . . . . . . . . 6499 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1XKM . . . . . . 6499 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID distinctin abbreviation 6499 1 'distinctin chain A/distinctin chain B' system 6499 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID antibiotic 6499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Distinctin_chain_A _Entity.Sf_category entity _Entity.Sf_framecode Distinctin_chain_A _Entity.Entry_ID 6499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Distinctin chain A' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ENREVPPGFTALIKTLRKCK II ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XKM . 'Nmr Structure Of Antimicrobial Peptide Distinctin In Water' . . . . . 100.00 22 100.00 100.00 7.45e-04 . . . . 6499 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Distinctin chain A' abbreviation 6499 1 'Distinctin chain A' common 6499 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 6499 1 2 . ASN . 6499 1 3 . ARG . 6499 1 4 . GLU . 6499 1 5 . VAL . 6499 1 6 . PRO . 6499 1 7 . PRO . 6499 1 8 . GLY . 6499 1 9 . PHE . 6499 1 10 . THR . 6499 1 11 . ALA . 6499 1 12 . LEU . 6499 1 13 . ILE . 6499 1 14 . LYS . 6499 1 15 . THR . 6499 1 16 . LEU . 6499 1 17 . ARG . 6499 1 18 . LYS . 6499 1 19 . CYS . 6499 1 20 . LYS . 6499 1 21 . ILE . 6499 1 22 . ILE . 6499 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 6499 1 . ASN 2 2 6499 1 . ARG 3 3 6499 1 . GLU 4 4 6499 1 . VAL 5 5 6499 1 . PRO 6 6 6499 1 . PRO 7 7 6499 1 . GLY 8 8 6499 1 . PHE 9 9 6499 1 . THR 10 10 6499 1 . ALA 11 11 6499 1 . LEU 12 12 6499 1 . ILE 13 13 6499 1 . LYS 14 14 6499 1 . THR 15 15 6499 1 . LEU 16 16 6499 1 . ARG 17 17 6499 1 . LYS 18 18 6499 1 . CYS 19 19 6499 1 . LYS 20 20 6499 1 . ILE 21 21 6499 1 . ILE 22 22 6499 1 stop_ save_ save_Distinctin_chain_B _Entity.Sf_category entity _Entity.Sf_framecode Distinctin_chain_B _Entity.Entry_ID 6499 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Distinctin chain B' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NLVSGLIEARKYLEQLHRKL KNCKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XKM . 'Nmr Structure Of Antimicrobial Peptide Distinctin In Water' . . . . . 96.00 25 100.00 100.00 1.50e-04 . . . . 6499 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Distinctin chain B' abbreviation 6499 2 'Distinctin chain B' common 6499 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASN . 6499 2 2 . LEU . 6499 2 3 . VAL . 6499 2 4 . SER . 6499 2 5 . GLY . 6499 2 6 . LEU . 6499 2 7 . ILE . 6499 2 8 . GLU . 6499 2 9 . ALA . 6499 2 10 . ARG . 6499 2 11 . LYS . 6499 2 12 . TYR . 6499 2 13 . LEU . 6499 2 14 . GLU . 6499 2 15 . GLN . 6499 2 16 . LEU . 6499 2 17 . HIS . 6499 2 18 . ARG . 6499 2 19 . LYS . 6499 2 20 . LEU . 6499 2 21 . LYS . 6499 2 22 . ASN . 6499 2 23 . CYS . 6499 2 24 . LYS . 6499 2 25 . VAL . 6499 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASN 1 1 6499 2 . LEU 2 2 6499 2 . VAL 3 3 6499 2 . SER 4 4 6499 2 . GLY 5 5 6499 2 . LEU 6 6 6499 2 . ILE 7 7 6499 2 . GLU 8 8 6499 2 . ALA 9 9 6499 2 . ARG 10 10 6499 2 . LYS 11 11 6499 2 . TYR 12 12 6499 2 . LEU 13 13 6499 2 . GLU 14 14 6499 2 . GLN 15 15 6499 2 . LEU 16 16 6499 2 . HIS 17 17 6499 2 . ARG 18 18 6499 2 . LYS 19 19 6499 2 . LEU 20 20 6499 2 . LYS 21 21 6499 2 . ASN 22 22 6499 2 . CYS 23 23 6499 2 . LYS 24 24 6499 2 . VAL 25 25 6499 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6499 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Distinctin_chain_A . 164618 . . 'Phyllomedusa distincta' 'tree frog' . . Eukaryota Metazoa Phyllomedusa distincta . . . skin . . . . . . . . . 6499 1 2 2 $Distinctin_chain_B . 164618 . . 'Phyllomedusa distincta' 'tree frog' . . Eukaryota Metazoa Phyllomedusa distincta . . . skin . . . . . . . . . 6499 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6499 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Distinctin_chain_A . 'chemical synthesis' . . . . . . . . . . . . . . . . 6499 1 2 2 $Distinctin_chain_B . 'chemical synthesis' . . . . . . . . . . . . . . . . 6499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6499 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Distinctin chain A' . . . 1 $Distinctin_chain_A . . . 0.05 3.8 mM . . . . 6499 1 2 'Distinctin chain B' . . . 2 $Distinctin_chain_B . . . 0.05 3.8 mM . . . . 6499 1 3 Phosphate . . . . . . . 20 . . mM . . . . 6499 1 4 NaCl . . . . . . . 100 . . mM . . . . 6499 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6499 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.01 M 6499 1 pH 5.8 0.1 pH 6499 1 pressure 1 . atm 6499 1 temperature 300 0.5 K 6499 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6499 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.01 M 6499 2 pH 6.8 0.1 pH 6499 2 pressure 1 . atm 6499 2 temperature 310 0.5 K 6499 2 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6499 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 5 _Software.DOI . _Software.Details 'Kollman, Case' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6499 1 'structure solution' 6499 1 stop_ save_ save_MolMol _Software.Sf_category software _Software.Sf_framecode MolMol _Software.Entry_ID 6499 _Software.ID 2 _Software.Type . _Software.Name Molmol _Software.Version 2K.2 _Software.DOI . _Software.Details Koradi loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6499 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6499 _Software.ID 3 _Software.Type . _Software.Name xwinnmr _Software.Version 3.5 _Software.DOI . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6499 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6499 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 6499 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6499 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6499 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6499 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal spherical parallel . . 6499 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_ch_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_ch_A _Assigned_chem_shift_list.Entry_ID 6499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 6499 1 2 '2D TOCSY' 1 $sample_1 . 6499 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.80 . . 1 . . . . . . . . . 6499 1 2 . 1 1 1 1 GLU HB2 H 1 3.24 . . 2 . . . . . . . . . 6499 1 3 . 1 1 1 1 GLU HB3 H 1 3.20 . . 2 . . . . . . . . . 6499 1 4 . 1 1 1 1 GLU HG2 H 1 3.15 . . 2 . . . . . . . . . 6499 1 5 . 1 1 1 1 GLU HG3 H 1 3.05 . . 2 . . . . . . . . . 6499 1 6 . 1 1 2 2 ASN H H 1 7.42 . . 1 . . . . . . . . . 6499 1 7 . 1 1 2 2 ASN HA H 1 4.83 . . 1 . . . . . . . . . 6499 1 8 . 1 1 2 2 ASN HB2 H 1 2.89 . . 2 . . . . . . . . . 6499 1 9 . 1 1 2 2 ASN HB3 H 1 2.80 . . 2 . . . . . . . . . 6499 1 10 . 1 1 2 2 ASN HD21 H 1 7.69 . . 2 . . . . . . . . . 6499 1 11 . 1 1 2 2 ASN HD22 H 1 7.01 . . 2 . . . . . . . . . 6499 1 12 . 1 1 3 3 ARG H H 1 8.62 . . 1 . . . . . . . . . 6499 1 13 . 1 1 3 3 ARG HA H 1 4.43 . . 1 . . . . . . . . . 6499 1 14 . 1 1 3 3 ARG HB2 H 1 1.92 . . 2 . . . . . . . . . 6499 1 15 . 1 1 3 3 ARG HB3 H 1 1.76 . . 2 . . . . . . . . . 6499 1 16 . 1 1 3 3 ARG HG2 H 1 1.68 . . 2 . . . . . . . . . 6499 1 17 . 1 1 3 3 ARG HG3 H 1 1.66 . . 2 . . . . . . . . . 6499 1 18 . 1 1 3 3 ARG HD2 H 1 3.24 . . 2 . . . . . . . . . 6499 1 19 . 1 1 3 3 ARG HD3 H 1 3.22 . . 2 . . . . . . . . . 6499 1 20 . 1 1 3 3 ARG HE H 1 7.32 . . 1 . . . . . . . . . 6499 1 21 . 1 1 3 3 ARG HH11 H 1 7.18 . . 1 . . . . . . . . . 6499 1 22 . 1 1 3 3 ARG HH12 H 1 7.18 . . 1 . . . . . . . . . 6499 1 23 . 1 1 3 3 ARG HH21 H 1 6.73 . . 1 . . . . . . . . . 6499 1 24 . 1 1 3 3 ARG HH22 H 1 6.73 . . 1 . . . . . . . . . 6499 1 25 . 1 1 4 4 GLU H H 1 8.51 . . 1 . . . . . . . . . 6499 1 26 . 1 1 4 4 GLU HA H 1 4.35 . . 1 . . . . . . . . . 6499 1 27 . 1 1 4 4 GLU HB2 H 1 2.08 . . 2 . . . . . . . . . 6499 1 28 . 1 1 4 4 GLU HB3 H 1 1.99 . . 2 . . . . . . . . . 6499 1 29 . 1 1 4 4 GLU HG2 H 1 2.34 . . 2 . . . . . . . . . 6499 1 30 . 1 1 4 4 GLU HG3 H 1 2.30 . . 2 . . . . . . . . . 6499 1 31 . 1 1 5 5 VAL H H 1 8.23 . . 1 . . . . . . . . . 6499 1 32 . 1 1 5 5 VAL HA H 1 4.58 . . 1 . . . . . . . . . 6499 1 33 . 1 1 5 5 VAL HB H 1 2.11 . . 1 . . . . . . . . . 6499 1 34 . 1 1 5 5 VAL HG11 H 1 1.04 . . 2 . . . . . . . . . 6499 1 35 . 1 1 5 5 VAL HG12 H 1 1.04 . . 2 . . . . . . . . . 6499 1 36 . 1 1 5 5 VAL HG13 H 1 1.04 . . 2 . . . . . . . . . 6499 1 37 . 1 1 5 5 VAL HG21 H 1 0.95 . . 2 . . . . . . . . . 6499 1 38 . 1 1 5 5 VAL HG22 H 1 0.95 . . 2 . . . . . . . . . 6499 1 39 . 1 1 5 5 VAL HG23 H 1 0.95 . . 2 . . . . . . . . . 6499 1 40 . 1 1 6 6 PRO HA H 1 4.90 . . 1 . . . . . . . . . 6499 1 41 . 1 1 6 6 PRO HB2 H 1 2.69 . . 2 . . . . . . . . . 6499 1 42 . 1 1 6 6 PRO HB3 H 1 2.28 . . 2 . . . . . . . . . 6499 1 43 . 1 1 6 6 PRO HG2 H 1 2.13 . . 1 . . . . . . . . . 6499 1 44 . 1 1 6 6 PRO HG3 H 1 2.13 . . 1 . . . . . . . . . 6499 1 45 . 1 1 6 6 PRO HD2 H 1 4.15 . . 2 . . . . . . . . . 6499 1 46 . 1 1 6 6 PRO HD3 H 1 3.51 . . 2 . . . . . . . . . 6499 1 47 . 1 1 7 7 PRO HA H 1 4.47 . . 1 . . . . . . . . . 6499 1 48 . 1 1 7 7 PRO HB2 H 1 2.46 . . 2 . . . . . . . . . 6499 1 49 . 1 1 7 7 PRO HB3 H 1 2.24 . . 2 . . . . . . . . . 6499 1 50 . 1 1 7 7 PRO HG2 H 1 2.22 . . 2 . . . . . . . . . 6499 1 51 . 1 1 7 7 PRO HG3 H 1 2.20 . . 2 . . . . . . . . . 6499 1 52 . 1 1 7 7 PRO HD2 H 1 4.03 . . 2 . . . . . . . . . 6499 1 53 . 1 1 7 7 PRO HD3 H 1 3.91 . . 2 . . . . . . . . . 6499 1 54 . 1 1 8 8 GLY H H 1 8.99 . . 1 . . . . . . . . . 6499 1 55 . 1 1 8 8 GLY HA2 H 1 3.68 . . 2 . . . . . . . . . 6499 1 56 . 1 1 8 8 GLY HA3 H 1 3.39 . . 2 . . . . . . . . . 6499 1 57 . 1 1 9 9 PHE H H 1 7.80 . . 1 . . . . . . . . . 6499 1 58 . 1 1 9 9 PHE HA H 1 4.25 . . 1 . . . . . . . . . 6499 1 59 . 1 1 9 9 PHE HB2 H 1 3.42 . . 2 . . . . . . . . . 6499 1 60 . 1 1 9 9 PHE HB3 H 1 3.30 . . 2 . . . . . . . . . 6499 1 61 . 1 1 9 9 PHE HD1 H 1 7.43 . . 1 . . . . . . . . . 6499 1 62 . 1 1 9 9 PHE HD2 H 1 7.43 . . 1 . . . . . . . . . 6499 1 63 . 1 1 9 9 PHE HE1 H 1 7.22 . . 1 . . . . . . . . . 6499 1 64 . 1 1 9 9 PHE HE2 H 1 7.22 . . 1 . . . . . . . . . 6499 1 65 . 1 1 9 9 PHE HZ H 1 6.97 . . 1 . . . . . . . . . 6499 1 66 . 1 1 10 10 THR H H 1 7.94 . . 1 . . . . . . . . . 6499 1 67 . 1 1 10 10 THR HA H 1 3.84 . . 1 . . . . . . . . . 6499 1 68 . 1 1 10 10 THR HB H 1 4.27 . . 1 . . . . . . . . . 6499 1 69 . 1 1 10 10 THR HG21 H 1 1.29 . . 1 . . . . . . . . . 6499 1 70 . 1 1 10 10 THR HG22 H 1 1.29 . . 1 . . . . . . . . . 6499 1 71 . 1 1 10 10 THR HG23 H 1 1.29 . . 1 . . . . . . . . . 6499 1 72 . 1 1 11 11 ALA H H 1 8.04 . . 1 . . . . . . . . . 6499 1 73 . 1 1 11 11 ALA HA H 1 4.10 . . 1 . . . . . . . . . 6499 1 74 . 1 1 11 11 ALA HB1 H 1 1.44 . . 1 . . . . . . . . . 6499 1 75 . 1 1 11 11 ALA HB2 H 1 1.44 . . 1 . . . . . . . . . 6499 1 76 . 1 1 11 11 ALA HB3 H 1 1.44 . . 1 . . . . . . . . . 6499 1 77 . 1 1 12 12 LEU H H 1 7.66 . . 1 . . . . . . . . . 6499 1 78 . 1 1 12 12 LEU HA H 1 4.00 . . 1 . . . . . . . . . 6499 1 79 . 1 1 12 12 LEU HB2 H 1 2.22 . . 2 . . . . . . . . . 6499 1 80 . 1 1 12 12 LEU HB3 H 1 1.68 . . 2 . . . . . . . . . 6499 1 81 . 1 1 12 12 LEU HG H 1 1.47 . . 1 . . . . . . . . . 6499 1 82 . 1 1 12 12 LEU HD11 H 1 1.07 . . 2 . . . . . . . . . 6499 1 83 . 1 1 12 12 LEU HD12 H 1 1.07 . . 2 . . . . . . . . . 6499 1 84 . 1 1 12 12 LEU HD13 H 1 1.07 . . 2 . . . . . . . . . 6499 1 85 . 1 1 12 12 LEU HD21 H 1 0.88 . . 2 . . . . . . . . . 6499 1 86 . 1 1 12 12 LEU HD22 H 1 0.88 . . 2 . . . . . . . . . 6499 1 87 . 1 1 12 12 LEU HD23 H 1 0.88 . . 2 . . . . . . . . . 6499 1 88 . 1 1 13 13 ILE H H 1 8.16 . . 1 . . . . . . . . . 6499 1 89 . 1 1 13 13 ILE HA H 1 3.30 . . 1 . . . . . . . . . 6499 1 90 . 1 1 13 13 ILE HB H 1 1.98 . . 1 . . . . . . . . . 6499 1 91 . 1 1 13 13 ILE HG12 H 1 1.60 . . 2 . . . . . . . . . 6499 1 92 . 1 1 13 13 ILE HG13 H 1 0.81 . . 2 . . . . . . . . . 6499 1 93 . 1 1 13 13 ILE HG21 H 1 0.75 . . 1 . . . . . . . . . 6499 1 94 . 1 1 13 13 ILE HG22 H 1 0.75 . . 1 . . . . . . . . . 6499 1 95 . 1 1 13 13 ILE HG23 H 1 0.75 . . 1 . . . . . . . . . 6499 1 96 . 1 1 13 13 ILE HD11 H 1 0.40 . . 1 . . . . . . . . . 6499 1 97 . 1 1 13 13 ILE HD12 H 1 0.40 . . 1 . . . . . . . . . 6499 1 98 . 1 1 13 13 ILE HD13 H 1 0.40 . . 1 . . . . . . . . . 6499 1 99 . 1 1 14 14 LYS H H 1 7.84 . . 1 . . . . . . . . . 6499 1 100 . 1 1 14 14 LYS HA H 1 3.96 . . 1 . . . . . . . . . 6499 1 101 . 1 1 14 14 LYS HB2 H 1 1.97 . . 2 . . . . . . . . . 6499 1 102 . 1 1 14 14 LYS HB3 H 1 1.70 . . 2 . . . . . . . . . 6499 1 103 . 1 1 14 14 LYS HG2 H 1 1.44 . . 2 . . . . . . . . . 6499 1 104 . 1 1 14 14 LYS HG3 H 1 1.40 . . 2 . . . . . . . . . 6499 1 105 . 1 1 14 14 LYS HD2 H 1 1.44 . . 2 . . . . . . . . . 6499 1 106 . 1 1 14 14 LYS HD3 H 1 1.40 . . 2 . . . . . . . . . 6499 1 107 . 1 1 14 14 LYS HE2 H 1 2.97 . . 1 . . . . . . . . . 6499 1 108 . 1 1 14 14 LYS HE3 H 1 2.97 . . 1 . . . . . . . . . 6499 1 109 . 1 1 14 14 LYS HZ1 H 1 7.35 . . 1 . . . . . . . . . 6499 1 110 . 1 1 14 14 LYS HZ2 H 1 7.35 . . 1 . . . . . . . . . 6499 1 111 . 1 1 14 14 LYS HZ3 H 1 7.35 . . 1 . . . . . . . . . 6499 1 112 . 1 1 15 15 THR H H 1 8.18 . . 1 . . . . . . . . . 6499 1 113 . 1 1 15 15 THR HA H 1 3.88 . . 1 . . . . . . . . . 6499 1 114 . 1 1 15 15 THR HB H 1 4.19 . . 1 . . . . . . . . . 6499 1 115 . 1 1 15 15 THR HG21 H 1 1.14 . . 1 . . . . . . . . . 6499 1 116 . 1 1 15 15 THR HG22 H 1 1.14 . . 1 . . . . . . . . . 6499 1 117 . 1 1 15 15 THR HG23 H 1 1.14 . . 1 . . . . . . . . . 6499 1 118 . 1 1 16 16 LEU H H 1 8.91 . . 1 . . . . . . . . . 6499 1 119 . 1 1 16 16 LEU HA H 1 3.78 . . 1 . . . . . . . . . 6499 1 120 . 1 1 16 16 LEU HB2 H 1 2.04 . . 2 . . . . . . . . . 6499 1 121 . 1 1 16 16 LEU HB3 H 1 1.81 . . 2 . . . . . . . . . 6499 1 122 . 1 1 16 16 LEU HG H 1 1.19 . . 1 . . . . . . . . . 6499 1 123 . 1 1 16 16 LEU HD11 H 1 0.86 . . 2 . . . . . . . . . 6499 1 124 . 1 1 16 16 LEU HD12 H 1 0.86 . . 2 . . . . . . . . . 6499 1 125 . 1 1 16 16 LEU HD13 H 1 0.86 . . 2 . . . . . . . . . 6499 1 126 . 1 1 16 16 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 1 127 . 1 1 16 16 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 1 128 . 1 1 16 16 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 1 129 . 1 1 17 17 ARG H H 1 8.47 . . 1 . . . . . . . . . 6499 1 130 . 1 1 17 17 ARG HA H 1 4.37 . . 1 . . . . . . . . . 6499 1 131 . 1 1 17 17 ARG HB2 H 1 1.89 . . 2 . . . . . . . . . 6499 1 132 . 1 1 17 17 ARG HB3 H 1 1.79 . . 2 . . . . . . . . . 6499 1 133 . 1 1 17 17 ARG HG2 H 1 1.63 . . 1 . . . . . . . . . 6499 1 134 . 1 1 17 17 ARG HG3 H 1 1.63 . . 1 . . . . . . . . . 6499 1 135 . 1 1 17 17 ARG HD2 H 1 3.22 . . 2 . . . . . . . . . 6499 1 136 . 1 1 17 17 ARG HD3 H 1 3.17 . . 2 . . . . . . . . . 6499 1 137 . 1 1 17 17 ARG HH11 H 1 7.10 . . 1 . . . . . . . . . 6499 1 138 . 1 1 17 17 ARG HH12 H 1 7.10 . . 1 . . . . . . . . . 6499 1 139 . 1 1 17 17 ARG HH21 H 1 6.43 . . 1 . . . . . . . . . 6499 1 140 . 1 1 17 17 ARG HH22 H 1 6.43 . . 1 . . . . . . . . . 6499 1 141 . 1 1 18 18 LYS H H 1 8.38 . . 1 . . . . . . . . . 6499 1 142 . 1 1 18 18 LYS HA H 1 4.16 . . 1 . . . . . . . . . 6499 1 143 . 1 1 18 18 LYS HB2 H 1 2.08 . . 1 . . . . . . . . . 6499 1 144 . 1 1 18 18 LYS HB3 H 1 2.08 . . 1 . . . . . . . . . 6499 1 145 . 1 1 18 18 LYS HG2 H 1 1.62 . . 1 . . . . . . . . . 6499 1 146 . 1 1 18 18 LYS HG3 H 1 1.62 . . 1 . . . . . . . . . 6499 1 147 . 1 1 18 18 LYS HD2 H 1 1.58 . . 1 . . . . . . . . . 6499 1 148 . 1 1 18 18 LYS HD3 H 1 1.58 . . 1 . . . . . . . . . 6499 1 149 . 1 1 18 18 LYS HE2 H 1 3.03 . . 1 . . . . . . . . . 6499 1 150 . 1 1 18 18 LYS HE3 H 1 3.03 . . 1 . . . . . . . . . 6499 1 151 . 1 1 18 18 LYS HZ1 H 1 7.26 . . 1 . . . . . . . . . 6499 1 152 . 1 1 18 18 LYS HZ2 H 1 7.26 . . 1 . . . . . . . . . 6499 1 153 . 1 1 18 18 LYS HZ3 H 1 7.26 . . 1 . . . . . . . . . 6499 1 154 . 1 1 19 19 CYS H H 1 7.95 . . 1 . . . . . . . . . 6499 1 155 . 1 1 19 19 CYS HA H 1 4.51 . . 1 . . . . . . . . . 6499 1 156 . 1 1 19 19 CYS HB2 H 1 3.26 . . 2 . . . . . . . . . 6499 1 157 . 1 1 19 19 CYS HB3 H 1 2.96 . . 2 . . . . . . . . . 6499 1 158 . 1 1 20 20 LYS H H 1 8.21 . . 1 . . . . . . . . . 6499 1 159 . 1 1 20 20 LYS HA H 1 4.09 . . 1 . . . . . . . . . 6499 1 160 . 1 1 20 20 LYS HB2 H 1 2.19 . . 2 . . . . . . . . . 6499 1 161 . 1 1 20 20 LYS HB3 H 1 1.81 . . 2 . . . . . . . . . 6499 1 162 . 1 1 20 20 LYS HG2 H 1 1.45 . . 2 . . . . . . . . . 6499 1 163 . 1 1 20 20 LYS HG3 H 1 1.42 . . 2 . . . . . . . . . 6499 1 164 . 1 1 20 20 LYS HD2 H 1 1.46 . . 2 . . . . . . . . . 6499 1 165 . 1 1 20 20 LYS HD3 H 1 1.44 . . 2 . . . . . . . . . 6499 1 166 . 1 1 20 20 LYS HE2 H 1 3.11 . . 1 . . . . . . . . . 6499 1 167 . 1 1 20 20 LYS HE3 H 1 3.11 . . 1 . . . . . . . . . 6499 1 168 . 1 1 20 20 LYS HZ1 H 1 7.16 . . 1 . . . . . . . . . 6499 1 169 . 1 1 20 20 LYS HZ2 H 1 7.16 . . 1 . . . . . . . . . 6499 1 170 . 1 1 20 20 LYS HZ3 H 1 7.16 . . 1 . . . . . . . . . 6499 1 171 . 1 1 21 21 ILE H H 1 8.34 . . 1 . . . . . . . . . 6499 1 172 . 1 1 21 21 ILE HA H 1 3.86 . . 1 . . . . . . . . . 6499 1 173 . 1 1 21 21 ILE HB H 1 1.63 . . 1 . . . . . . . . . 6499 1 174 . 1 1 21 21 ILE HG12 H 1 1.10 . . 2 . . . . . . . . . 6499 1 175 . 1 1 21 21 ILE HG13 H 1 0.98 . . 2 . . . . . . . . . 6499 1 176 . 1 1 21 21 ILE HG21 H 1 0.82 . . 1 . . . . . . . . . 6499 1 177 . 1 1 21 21 ILE HG22 H 1 0.82 . . 1 . . . . . . . . . 6499 1 178 . 1 1 21 21 ILE HG23 H 1 0.82 . . 1 . . . . . . . . . 6499 1 179 . 1 1 21 21 ILE HD11 H 1 0.82 . . 1 . . . . . . . . . 6499 1 180 . 1 1 21 21 ILE HD12 H 1 0.82 . . 1 . . . . . . . . . 6499 1 181 . 1 1 21 21 ILE HD13 H 1 0.82 . . 1 . . . . . . . . . 6499 1 182 . 1 1 22 22 ILE H H 1 6.88 . . 1 . . . . . . . . . 6499 1 183 . 1 1 22 22 ILE HA H 1 4.20 . . 1 . . . . . . . . . 6499 1 184 . 1 1 22 22 ILE HB H 1 1.82 . . 1 . . . . . . . . . 6499 1 185 . 1 1 22 22 ILE HG12 H 1 1.10 . . 2 . . . . . . . . . 6499 1 186 . 1 1 22 22 ILE HG13 H 1 0.73 . . 2 . . . . . . . . . 6499 1 187 . 1 1 22 22 ILE HG21 H 1 0.56 . . 1 . . . . . . . . . 6499 1 188 . 1 1 22 22 ILE HG22 H 1 0.56 . . 1 . . . . . . . . . 6499 1 189 . 1 1 22 22 ILE HG23 H 1 0.56 . . 1 . . . . . . . . . 6499 1 190 . 1 1 22 22 ILE HD11 H 1 0.41 . . 1 . . . . . . . . . 6499 1 191 . 1 1 22 22 ILE HD12 H 1 0.41 . . 1 . . . . . . . . . 6499 1 192 . 1 1 22 22 ILE HD13 H 1 0.41 . . 1 . . . . . . . . . 6499 1 stop_ save_ save_chemical_shift_ch_B _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_ch_B _Assigned_chem_shift_list.Entry_ID 6499 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 6499 2 2 '2D TOCSY' 1 $sample_1 . 6499 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 ASN HA H 1 4.27 . . 1 . . . . . . . . . 6499 2 2 . 2 2 1 1 ASN HB2 H 1 2.99 . . 1 . . . . . . . . . 6499 2 3 . 2 2 1 1 ASN HB3 H 1 2.99 . . 1 . . . . . . . . . 6499 2 4 . 2 2 1 1 ASN HD21 H 1 7.76 . . 2 . . . . . . . . . 6499 2 5 . 2 2 1 1 ASN HD22 H 1 7.04 . . 2 . . . . . . . . . 6499 2 6 . 2 2 2 2 LEU H H 1 7.89 . . 1 . . . . . . . . . 6499 2 7 . 2 2 2 2 LEU HA H 1 4.46 . . 1 . . . . . . . . . 6499 2 8 . 2 2 2 2 LEU HB2 H 1 2.05 . . 2 . . . . . . . . . 6499 2 9 . 2 2 2 2 LEU HB3 H 1 1.70 . . 2 . . . . . . . . . 6499 2 10 . 2 2 2 2 LEU HG H 1 1.70 . . 1 . . . . . . . . . 6499 2 11 . 2 2 2 2 LEU HD11 H 1 1.00 . . 2 . . . . . . . . . 6499 2 12 . 2 2 2 2 LEU HD12 H 1 1.00 . . 2 . . . . . . . . . 6499 2 13 . 2 2 2 2 LEU HD13 H 1 1.00 . . 2 . . . . . . . . . 6499 2 14 . 2 2 2 2 LEU HD21 H 1 0.96 . . 2 . . . . . . . . . 6499 2 15 . 2 2 2 2 LEU HD22 H 1 0.96 . . 2 . . . . . . . . . 6499 2 16 . 2 2 2 2 LEU HD23 H 1 0.96 . . 2 . . . . . . . . . 6499 2 17 . 2 2 3 3 VAL H H 1 8.21 . . 1 . . . . . . . . . 6499 2 18 . 2 2 3 3 VAL HA H 1 4.09 . . 1 . . . . . . . . . 6499 2 19 . 2 2 3 3 VAL HB H 1 2.23 . . 1 . . . . . . . . . 6499 2 20 . 2 2 3 3 VAL HG11 H 1 1.04 . . 2 . . . . . . . . . 6499 2 21 . 2 2 3 3 VAL HG12 H 1 1.04 . . 2 . . . . . . . . . 6499 2 22 . 2 2 3 3 VAL HG13 H 1 1.04 . . 2 . . . . . . . . . 6499 2 23 . 2 2 3 3 VAL HG21 H 1 1.02 . . 2 . . . . . . . . . 6499 2 24 . 2 2 3 3 VAL HG22 H 1 1.02 . . 2 . . . . . . . . . 6499 2 25 . 2 2 3 3 VAL HG23 H 1 1.02 . . 2 . . . . . . . . . 6499 2 26 . 2 2 4 4 SER H H 1 8.36 . . 1 . . . . . . . . . 6499 2 27 . 2 2 4 4 SER HA H 1 4.40 . . 1 . . . . . . . . . 6499 2 28 . 2 2 4 4 SER HB2 H 1 4.02 . . 2 . . . . . . . . . 6499 2 29 . 2 2 4 4 SER HB3 H 1 3.95 . . 2 . . . . . . . . . 6499 2 30 . 2 2 5 5 GLY H H 1 8.63 . . 1 . . . . . . . . . 6499 2 31 . 2 2 5 5 GLY HA2 H 1 4.04 . . 1 . . . . . . . . . 6499 2 32 . 2 2 5 5 GLY HA3 H 1 4.04 . . 1 . . . . . . . . . 6499 2 33 . 2 2 6 6 LEU H H 1 8.11 . . 1 . . . . . . . . . 6499 2 34 . 2 2 6 6 LEU HA H 1 4.04 . . 1 . . . . . . . . . 6499 2 35 . 2 2 6 6 LEU HB2 H 1 1.74 . . 2 . . . . . . . . . 6499 2 36 . 2 2 6 6 LEU HB3 H 1 1.37 . . 2 . . . . . . . . . 6499 2 37 . 2 2 6 6 LEU HG H 1 1.23 . . 1 . . . . . . . . . 6499 2 38 . 2 2 6 6 LEU HD11 H 1 0.95 . . 2 . . . . . . . . . 6499 2 39 . 2 2 6 6 LEU HD12 H 1 0.95 . . 2 . . . . . . . . . 6499 2 40 . 2 2 6 6 LEU HD13 H 1 0.95 . . 2 . . . . . . . . . 6499 2 41 . 2 2 6 6 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 2 42 . 2 2 6 6 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 2 43 . 2 2 6 6 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 2 44 . 2 2 7 7 ILE H H 1 7.93 . . 1 . . . . . . . . . 6499 2 45 . 2 2 7 7 ILE HA H 1 3.74 . . 1 . . . . . . . . . 6499 2 46 . 2 2 7 7 ILE HB H 1 2.04 . . 1 . . . . . . . . . 6499 2 47 . 2 2 7 7 ILE HG12 H 1 1.72 . . 2 . . . . . . . . . 6499 2 48 . 2 2 7 7 ILE HG13 H 1 1.70 . . 2 . . . . . . . . . 6499 2 49 . 2 2 7 7 ILE HG21 H 1 1.32 . . 1 . . . . . . . . . 6499 2 50 . 2 2 7 7 ILE HG22 H 1 1.32 . . 1 . . . . . . . . . 6499 2 51 . 2 2 7 7 ILE HG23 H 1 1.32 . . 1 . . . . . . . . . 6499 2 52 . 2 2 7 7 ILE HD11 H 1 1.00 . . 1 . . . . . . . . . 6499 2 53 . 2 2 7 7 ILE HD12 H 1 1.00 . . 1 . . . . . . . . . 6499 2 54 . 2 2 7 7 ILE HD13 H 1 1.00 . . 1 . . . . . . . . . 6499 2 55 . 2 2 8 8 GLU H H 1 8.44 . . 1 . . . . . . . . . 6499 2 56 . 2 2 8 8 GLU HA H 1 4.05 . . 1 . . . . . . . . . 6499 2 57 . 2 2 8 8 GLU HB2 H 1 2.19 . . 2 . . . . . . . . . 6499 2 58 . 2 2 8 8 GLU HB3 H 1 2.11 . . 2 . . . . . . . . . 6499 2 59 . 2 2 8 8 GLU HG2 H 1 2.51 . . 2 . . . . . . . . . 6499 2 60 . 2 2 8 8 GLU HG3 H 1 2.43 . . 2 . . . . . . . . . 6499 2 61 . 2 2 9 9 ALA H H 1 8.31 . . 1 . . . . . . . . . 6499 2 62 . 2 2 9 9 ALA HA H 1 4.37 . . 1 . . . . . . . . . 6499 2 63 . 2 2 9 9 ALA HB1 H 1 1.62 . . 1 . . . . . . . . . 6499 2 64 . 2 2 9 9 ALA HB2 H 1 1.62 . . 1 . . . . . . . . . 6499 2 65 . 2 2 9 9 ALA HB3 H 1 1.62 . . 1 . . . . . . . . . 6499 2 66 . 2 2 10 10 ARG H H 1 8.19 . . 1 . . . . . . . . . 6499 2 67 . 2 2 10 10 ARG HA H 1 3.87 . . 1 . . . . . . . . . 6499 2 68 . 2 2 10 10 ARG HB2 H 1 2.08 . . 2 . . . . . . . . . 6499 2 69 . 2 2 10 10 ARG HB3 H 1 1.84 . . 2 . . . . . . . . . 6499 2 70 . 2 2 10 10 ARG HG2 H 1 1.52 . . 1 . . . . . . . . . 6499 2 71 . 2 2 10 10 ARG HG3 H 1 1.52 . . 1 . . . . . . . . . 6499 2 72 . 2 2 10 10 ARG HD2 H 1 3.11 . . 1 . . . . . . . . . 6499 2 73 . 2 2 10 10 ARG HD3 H 1 3.11 . . 1 . . . . . . . . . 6499 2 74 . 2 2 10 10 ARG HH11 H 1 7.10 . . 1 . . . . . . . . . 6499 2 75 . 2 2 10 10 ARG HH12 H 1 7.10 . . 1 . . . . . . . . . 6499 2 76 . 2 2 10 10 ARG HH21 H 1 6.50 . . 1 . . . . . . . . . 6499 2 77 . 2 2 10 10 ARG HH22 H 1 6.50 . . 1 . . . . . . . . . 6499 2 78 . 2 2 11 11 LYS H H 1 8.11 . . 1 . . . . . . . . . 6499 2 79 . 2 2 11 11 LYS HA H 1 4.15 . . 1 . . . . . . . . . 6499 2 80 . 2 2 11 11 LYS HB2 H 1 2.01 . . 2 . . . . . . . . . 6499 2 81 . 2 2 11 11 LYS HB3 H 1 1.76 . . 2 . . . . . . . . . 6499 2 82 . 2 2 11 11 LYS HG2 H 1 1.57 . . 1 . . . . . . . . . 6499 2 83 . 2 2 11 11 LYS HG3 H 1 1.57 . . 1 . . . . . . . . . 6499 2 84 . 2 2 11 11 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 6499 2 85 . 2 2 11 11 LYS HD3 H 1 1.55 . . 1 . . . . . . . . . 6499 2 86 . 2 2 11 11 LYS HE2 H 1 3.00 . . 1 . . . . . . . . . 6499 2 87 . 2 2 11 11 LYS HE3 H 1 3.00 . . 1 . . . . . . . . . 6499 2 88 . 2 2 11 11 LYS HZ1 H 1 7.21 . . 1 . . . . . . . . . 6499 2 89 . 2 2 11 11 LYS HZ2 H 1 7.21 . . 1 . . . . . . . . . 6499 2 90 . 2 2 11 11 LYS HZ3 H 1 7.21 . . 1 . . . . . . . . . 6499 2 91 . 2 2 12 12 TYR H H 1 8.52 . . 1 . . . . . . . . . 6499 2 92 . 2 2 12 12 TYR HA H 1 4.39 . . 1 . . . . . . . . . 6499 2 93 . 2 2 12 12 TYR HB2 H 1 3.36 . . 2 . . . . . . . . . 6499 2 94 . 2 2 12 12 TYR HB3 H 1 3.13 . . 2 . . . . . . . . . 6499 2 95 . 2 2 12 12 TYR HD1 H 1 7.10 . . 1 . . . . . . . . . 6499 2 96 . 2 2 12 12 TYR HD2 H 1 7.10 . . 1 . . . . . . . . . 6499 2 97 . 2 2 12 12 TYR HE1 H 1 6.79 . . 1 . . . . . . . . . 6499 2 98 . 2 2 12 12 TYR HE2 H 1 6.79 . . 1 . . . . . . . . . 6499 2 99 . 2 2 13 13 LEU H H 1 8.59 . . 1 . . . . . . . . . 6499 2 100 . 2 2 13 13 LEU HA H 1 3.97 . . 1 . . . . . . . . . 6499 2 101 . 2 2 13 13 LEU HB2 H 1 2.12 . . 2 . . . . . . . . . 6499 2 102 . 2 2 13 13 LEU HB3 H 1 2.02 . . 2 . . . . . . . . . 6499 2 103 . 2 2 13 13 LEU HG H 1 1.67 . . 1 . . . . . . . . . 6499 2 104 . 2 2 13 13 LEU HD11 H 1 0.98 . . 2 . . . . . . . . . 6499 2 105 . 2 2 13 13 LEU HD12 H 1 0.98 . . 2 . . . . . . . . . 6499 2 106 . 2 2 13 13 LEU HD13 H 1 0.98 . . 2 . . . . . . . . . 6499 2 107 . 2 2 13 13 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 2 108 . 2 2 13 13 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 2 109 . 2 2 13 13 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 2 110 . 2 2 14 14 GLU H H 1 8.10 . . 1 . . . . . . . . . 6499 2 111 . 2 2 14 14 GLU HA H 1 4.39 . . 1 . . . . . . . . . 6499 2 112 . 2 2 14 14 GLU HB2 H 1 2.34 . . 1 . . . . . . . . . 6499 2 113 . 2 2 14 14 GLU HB3 H 1 2.34 . . 1 . . . . . . . . . 6499 2 114 . 2 2 14 14 GLU HG2 H 1 2.31 . . 2 . . . . . . . . . 6499 2 115 . 2 2 14 14 GLU HG3 H 1 2.28 . . 2 . . . . . . . . . 6499 2 116 . 2 2 15 15 GLN H H 1 7.99 . . 1 . . . . . . . . . 6499 2 117 . 2 2 15 15 GLN HA H 1 4.15 . . 1 . . . . . . . . . 6499 2 118 . 2 2 15 15 GLN HB2 H 1 2.36 . . 2 . . . . . . . . . 6499 2 119 . 2 2 15 15 GLN HB3 H 1 2.22 . . 2 . . . . . . . . . 6499 2 120 . 2 2 15 15 GLN HG2 H 1 2.64 . . 1 . . . . . . . . . 6499 2 121 . 2 2 15 15 GLN HG3 H 1 2.64 . . 1 . . . . . . . . . 6499 2 122 . 2 2 15 15 GLN HE21 H 1 7.69 . . 2 . . . . . . . . . 6499 2 123 . 2 2 15 15 GLN HE22 H 1 7.01 . . 2 . . . . . . . . . 6499 2 124 . 2 2 16 16 LEU H H 1 8.37 . . 1 . . . . . . . . . 6499 2 125 . 2 2 16 16 LEU HA H 1 4.37 . . 1 . . . . . . . . . 6499 2 126 . 2 2 16 16 LEU HB2 H 1 1.74 . . 2 . . . . . . . . . 6499 2 127 . 2 2 16 16 LEU HB3 H 1 1.68 . . 2 . . . . . . . . . 6499 2 128 . 2 2 16 16 LEU HG H 1 1.24 . . 1 . . . . . . . . . 6499 2 129 . 2 2 16 16 LEU HD11 H 1 0.99 . . 2 . . . . . . . . . 6499 2 130 . 2 2 16 16 LEU HD12 H 1 0.99 . . 2 . . . . . . . . . 6499 2 131 . 2 2 16 16 LEU HD13 H 1 0.99 . . 2 . . . . . . . . . 6499 2 132 . 2 2 16 16 LEU HD21 H 1 0.82 . . 2 . . . . . . . . . 6499 2 133 . 2 2 16 16 LEU HD22 H 1 0.82 . . 2 . . . . . . . . . 6499 2 134 . 2 2 16 16 LEU HD23 H 1 0.82 . . 2 . . . . . . . . . 6499 2 135 . 2 2 17 17 HIS H H 1 8.40 . . 1 . . . . . . . . . 6499 2 136 . 2 2 17 17 HIS HA H 1 3.89 . . 1 . . . . . . . . . 6499 2 137 . 2 2 17 17 HIS HB2 H 1 3.27 . . 2 . . . . . . . . . 6499 2 138 . 2 2 17 17 HIS HB3 H 1 3.13 . . 2 . . . . . . . . . 6499 2 139 . 2 2 17 17 HIS HD2 H 1 7.07 . . 1 . . . . . . . . . 6499 2 140 . 2 2 17 17 HIS HE1 H 1 8.04 . . 1 . . . . . . . . . 6499 2 141 . 2 2 18 18 ARG H H 1 8.03 . . 1 . . . . . . . . . 6499 2 142 . 2 2 18 18 ARG HA H 1 3.99 . . 1 . . . . . . . . . 6499 2 143 . 2 2 18 18 ARG HB2 H 1 2.09 . . 2 . . . . . . . . . 6499 2 144 . 2 2 18 18 ARG HB3 H 1 2.00 . . 2 . . . . . . . . . 6499 2 145 . 2 2 18 18 ARG HG2 H 1 1.89 . . 2 . . . . . . . . . 6499 2 146 . 2 2 18 18 ARG HG3 H 1 1.71 . . 2 . . . . . . . . . 6499 2 147 . 2 2 18 18 ARG HD2 H 1 3.30 . . 1 . . . . . . . . . 6499 2 148 . 2 2 18 18 ARG HD3 H 1 3.30 . . 1 . . . . . . . . . 6499 2 149 . 2 2 18 18 ARG HH11 H 1 7.18 . . 1 . . . . . . . . . 6499 2 150 . 2 2 18 18 ARG HH12 H 1 7.18 . . 1 . . . . . . . . . 6499 2 151 . 2 2 18 18 ARG HH21 H 1 6.64 . . 1 . . . . . . . . . 6499 2 152 . 2 2 18 18 ARG HH22 H 1 6.64 . . 1 . . . . . . . . . 6499 2 153 . 2 2 19 19 LYS H H 1 8.14 . . 1 . . . . . . . . . 6499 2 154 . 2 2 19 19 LYS HA H 1 4.15 . . 1 . . . . . . . . . 6499 2 155 . 2 2 19 19 LYS HB2 H 1 1.87 . . 2 . . . . . . . . . 6499 2 156 . 2 2 19 19 LYS HB3 H 1 1.77 . . 2 . . . . . . . . . 6499 2 157 . 2 2 19 19 LYS HG2 H 1 1.58 . . 1 . . . . . . . . . 6499 2 158 . 2 2 19 19 LYS HG3 H 1 1.58 . . 1 . . . . . . . . . 6499 2 159 . 2 2 19 19 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 6499 2 160 . 2 2 19 19 LYS HD3 H 1 1.55 . . 1 . . . . . . . . . 6499 2 161 . 2 2 19 19 LYS HE2 H 1 3.02 . . 1 . . . . . . . . . 6499 2 162 . 2 2 19 19 LYS HE3 H 1 3.02 . . 1 . . . . . . . . . 6499 2 163 . 2 2 19 19 LYS HZ1 H 1 7.12 . . 1 . . . . . . . . . 6499 2 164 . 2 2 19 19 LYS HZ2 H 1 7.12 . . 1 . . . . . . . . . 6499 2 165 . 2 2 19 19 LYS HZ3 H 1 7.12 . . 1 . . . . . . . . . 6499 2 166 . 2 2 20 20 LEU H H 1 8.54 . . 1 . . . . . . . . . 6499 2 167 . 2 2 20 20 LEU HA H 1 3.98 . . 1 . . . . . . . . . 6499 2 168 . 2 2 20 20 LEU HB2 H 1 1.87 . . 2 . . . . . . . . . 6499 2 169 . 2 2 20 20 LEU HB3 H 1 1.69 . . 2 . . . . . . . . . 6499 2 170 . 2 2 20 20 LEU HG H 1 1.47 . . 1 . . . . . . . . . 6499 2 171 . 2 2 20 20 LEU HD11 H 1 0.99 . . 2 . . . . . . . . . 6499 2 172 . 2 2 20 20 LEU HD12 H 1 0.99 . . 2 . . . . . . . . . 6499 2 173 . 2 2 20 20 LEU HD13 H 1 0.99 . . 2 . . . . . . . . . 6499 2 174 . 2 2 20 20 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 2 175 . 2 2 20 20 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 2 176 . 2 2 20 20 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 2 177 . 2 2 21 21 LYS H H 1 7.74 . . 1 . . . . . . . . . 6499 2 178 . 2 2 21 21 LYS HA H 1 3.94 . . 1 . . . . . . . . . 6499 2 179 . 2 2 21 21 LYS HB2 H 1 1.88 . . 2 . . . . . . . . . 6499 2 180 . 2 2 21 21 LYS HB3 H 1 1.65 . . 2 . . . . . . . . . 6499 2 181 . 2 2 21 21 LYS HG2 H 1 1.39 . . 1 . . . . . . . . . 6499 2 182 . 2 2 21 21 LYS HG3 H 1 1.39 . . 1 . . . . . . . . . 6499 2 183 . 2 2 21 21 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 6499 2 184 . 2 2 21 21 LYS HD3 H 1 1.55 . . 1 . . . . . . . . . 6499 2 185 . 2 2 21 21 LYS HE2 H 1 3.02 . . 1 . . . . . . . . . 6499 2 186 . 2 2 21 21 LYS HE3 H 1 3.02 . . 1 . . . . . . . . . 6499 2 187 . 2 2 21 21 LYS HZ1 H 1 7.12 . . 1 . . . . . . . . . 6499 2 188 . 2 2 21 21 LYS HZ2 H 1 7.12 . . 1 . . . . . . . . . 6499 2 189 . 2 2 21 21 LYS HZ3 H 1 7.12 . . 1 . . . . . . . . . 6499 2 190 . 2 2 22 22 ASN H H 1 7.26 . . 1 . . . . . . . . . 6499 2 191 . 2 2 22 22 ASN HA H 1 4.89 . . 1 . . . . . . . . . 6499 2 192 . 2 2 22 22 ASN HB2 H 1 3.08 . . 1 . . . . . . . . . 6499 2 193 . 2 2 22 22 ASN HB3 H 1 2.69 . . 1 . . . . . . . . . 6499 2 194 . 2 2 22 22 ASN HD21 H 1 7.62 . . 2 . . . . . . . . . 6499 2 195 . 2 2 22 22 ASN HD22 H 1 6.95 . . 2 . . . . . . . . . 6499 2 196 . 2 2 23 23 CYS H H 1 7.42 . . 1 . . . . . . . . . 6499 2 197 . 2 2 23 23 CYS HA H 1 4.54 . . 1 . . . . . . . . . 6499 2 198 . 2 2 23 23 CYS HB2 H 1 3.64 . . 2 . . . . . . . . . 6499 2 199 . 2 2 23 23 CYS HB3 H 1 3.06 . . 2 . . . . . . . . . 6499 2 200 . 2 2 24 24 LYS H H 1 8.62 . . 1 . . . . . . . . . 6499 2 201 . 2 2 24 24 LYS HA H 1 4.57 . . 1 . . . . . . . . . 6499 2 202 . 2 2 24 24 LYS HB2 H 1 1.91 . . 2 . . . . . . . . . 6499 2 203 . 2 2 24 24 LYS HB3 H 1 1.74 . . 2 . . . . . . . . . 6499 2 204 . 2 2 24 24 LYS HG2 H 1 1.47 . . 1 . . . . . . . . . 6499 2 205 . 2 2 24 24 LYS HG3 H 1 1.47 . . 1 . . . . . . . . . 6499 2 206 . 2 2 24 24 LYS HD2 H 1 1.49 . . 1 . . . . . . . . . 6499 2 207 . 2 2 24 24 LYS HD3 H 1 1.49 . . 1 . . . . . . . . . 6499 2 208 . 2 2 24 24 LYS HE2 H 1 3.05 . . 1 . . . . . . . . . 6499 2 209 . 2 2 24 24 LYS HE3 H 1 3.05 . . 1 . . . . . . . . . 6499 2 210 . 2 2 24 24 LYS HZ1 H 1 7.19 . . 1 . . . . . . . . . 6499 2 211 . 2 2 24 24 LYS HZ2 H 1 7.19 . . 1 . . . . . . . . . 6499 2 212 . 2 2 24 24 LYS HZ3 H 1 7.19 . . 1 . . . . . . . . . 6499 2 213 . 2 2 25 25 VAL H H 1 7.62 . . 1 . . . . . . . . . 6499 2 214 . 2 2 25 25 VAL HA H 1 4.16 . . 1 . . . . . . . . . 6499 2 215 . 2 2 25 25 VAL HB H 1 2.09 . . 1 . . . . . . . . . 6499 2 216 . 2 2 25 25 VAL HG11 H 1 0.93 . . 1 . . . . . . . . . 6499 2 217 . 2 2 25 25 VAL HG12 H 1 0.93 . . 1 . . . . . . . . . 6499 2 218 . 2 2 25 25 VAL HG13 H 1 0.93 . . 1 . . . . . . . . . 6499 2 219 . 2 2 25 25 VAL HG21 H 1 0.93 . . 1 . . . . . . . . . 6499 2 220 . 2 2 25 25 VAL HG22 H 1 0.93 . . 1 . . . . . . . . . 6499 2 221 . 2 2 25 25 VAL HG23 H 1 0.93 . . 1 . . . . . . . . . 6499 2 stop_ save_